BDBM50221847 (1S,2R,4S,5R,6R,7S,9R,12R)-5-(acetyloxy)-4,12-bis[(furan-2-yl)carbonyloxy]-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-7-yl furan-2-carboxylate::CHEMBL397350

SMILES: CC(=O)O[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1)OC(=O)c1ccco1

InChI Key: InChIKey=YGJUWPJFQDTWFS-FALCZEPVSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50221847   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50221847 ((1S,2R,4S,5R,6R,7S,9R,12R)-5-(acetyloxy)-4,12-bis[...) Show SMILES CC(=O)O[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1)OC(=O)c1ccco1 |TLB:29:28:26.16.17:11.12| Show InChI InChI=1S/C32H34O13/c1-17(33)41-25-22(42-26(34)19-9-6-12-38-19)16-30(4,37)32-24(44-28(36)21-11-8-14-40-21)18(29(2,3)45-32)15-23(31(25,32)5)43-27(35)20-10-7-13-39-20/h6-14,18,22-25,37H,15-16H2,1-5H3/t18-,22+,23+,24-,25+,30-,31-,32+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-OrgAnica Antonio GonzAlez Curated by ChEMBL					Assay Description Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay				J Med Chem 50: 4808-17 (2007) Article DOI: 10.1021/jm070290v BindingDB Entry DOI: 10.7270/Q2K35TCP
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